(4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate

C18H16N2O2 — CID 11162142

IUPAC(4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate
SMILESCc1ccc(COC(=O)Nc2cccc3cnccc23)cc1
InChIInChI=1S/C18H16N2O2/c1-13-5-7-14(8-6-13)12-22-18(21)20-17-4-2-3-15-11-19-10-9-16(15)17/h2-11H,12H2,1H3,(H,20,21)
InChIKeyPWPLRTGRYJNZIU-UHFFFAOYSA-N
MW292.34 g/mol
LogP4.29
Rot. Bonds3

About (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate

(4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate (PubChem CID 11162142) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate
PubChem CID11162142
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate
SMILESCc1ccc(COC(=O)Nc2cccc3cnccc23)cc1
InChIInChI=1S/C18H16N2O2/c1-13-5-7-14(8-6-13)12-22-18(21)20-17-4-2-3-15-11-19-10-9-16(15)17/h2-11H,12H2,1H3,(H,20,21)
InChIKeyPWPLRTGRYJNZIU-UHFFFAOYSA-N
XLogP4.29
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate?
The IUPAC name of (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate (CID 11162142) is (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate?
The canonical SMILES for (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate is Cc1ccc(COC(=O)Nc2cccc3cnccc23)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate?
The InChIKey is PWPLRTGRYJNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-5-7-14(8-6-13)12-22-18(21)20-17-4-2-3-15-11-19-10-9-16(15)17/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate?
(4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate has a molecular weight of 292.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-isoquinolin-5-ylcarbamate is sourced from PubChem (CID 11162142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).